| Record Information |
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| Version | 2.0 |
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| Creation Date | 2015-09-08 17:50:28 -0600 |
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| Update Date | 2015-09-14 16:46:12 -0600 |
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| Secondary Accession Numbers | |
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| Identification |
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| Name: | 3-demethylubiquinol-8 |
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| Description | 3-Demethylubiquinol-8 belongs to the class of Tetraterpenes. These are terpene molecules containing 10 consecutively linked isoprene units. (inferred from compound structure) 3-demethylubiquinol-8 is invovled in Ubiquinone and other terpenoid-quinone biosynthesis, and Biosynthesis of secondary metabolites. (KEGG) |
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| Structure | |
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| Synonyms: | | Value | Source |
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| 2-Octaprenyl-3-methyl-5-hydroxy-6-methoxy-1,4-benzoquinol | MetaCyc | | OMHMB | MetaCyc | | 2-Octaprenyl-3-methyl-5-hydroxy-6-methoxy-1,4-benzoquinone | MetaCyc |
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| Chemical Formula: | C48H74O4 |
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| Weight: | Average: 715.116
Monoisotopic: 714.558710863 |
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| InChI Key: | HOLCDWJWFMTVHO-WDXILIIOSA-N |
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| InChI: | InChI=1S/C48H74O4/c1-35(2)19-12-20-36(3)21-13-22-37(4)23-14-24-38(5)25-15-26-39(6)27-16-28-40(7)29-17-30-41(8)31-18-32-42(9)33-34-44-43(10)45(49)48(52-11)47(51)46(44)50/h19,21,23,25,27,29,31,33,49-51H,12-18,20,22,24,26,28,30,32,34H2,1-11H3/b36-21+,37-23+,38-25+,39-27+,40-29+,41-31+,42-33+ |
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| CAS number: | Not Available |
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| IUPAC Name: | 3-methoxy-5-methyl-6-[(2E,6E,10E,14E,18E,22E,26E)-3,7,11,15,19,23,27,31-octamethyldotriaconta-2,6,10,14,18,22,26,30-octaen-1-yl]benzene-1,2,4-triol |
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| Traditional IUPAC Name: | 3-methoxy-5-methyl-6-[(2E,6E,10E,14E,18E,22E,26E)-3,7,11,15,19,23,27,31-octamethyldotriaconta-2,6,10,14,18,22,26,30-octaen-1-yl]benzene-1,2,4-triol |
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| SMILES: | [H]\C(CC\C(C)=C(/[H])CC\C(C)=C(/[H])CC\C(C)=C(/[H])CC\C(C)=C(/[H])CC\C(C)=C(/[H])CC\C(C)=C(/[H])CC1=C(C)C(O)=C(OC)C(O)=C1O)=C(\C)CCC=C(C)C |
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| Chemical Taxonomy |
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| Description | belongs to the class of organic compounds known as polyprenylbenzene-1,2-diols. Polyprenylbenzene-1,2-diols are compounds containing a polyisoprene chain attached to a catechol group. |
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| Kingdom | Organic compounds |
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| Super Class | Lipids and lipid-like molecules |
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| Class | Prenol lipids |
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| Sub Class | Polyprenylphenols |
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| Direct Parent | Polyprenylbenzene-1,2-diols |
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| Alternative Parents | |
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| Substituents | - Tetraterpenoid
- Polyprenylbenzene-1,2-diol
- Polyprenylbenzoquinol
- Ubiquinol skeleton
- Prenylbenzoquinol
- Methoxyphenol
- Hydroxyquinol derivative
- Phenoxy compound
- Anisole
- Methoxybenzene
- M-cresol
- O-cresol
- P-cresol
- Phenol ether
- Alkyl aryl ether
- Toluene
- Phenol
- Benzenoid
- Monocyclic benzene moiety
- Ether
- Polyol
- Organic oxygen compound
- Hydrocarbon derivative
- Organooxygen compound
- Aromatic homomonocyclic compound
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| Molecular Framework | Aromatic homomonocyclic compounds |
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| External Descriptors | Not Available |
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| Physical Properties |
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| State: | Not Available |
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| Charge: | 0 |
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| Melting point: | Not Available |
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| Experimental Properties: | |
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| Predicted Properties | |
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| Biological Properties |
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| Cellular Locations: | Membrane |
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| Reactions: | |
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| SMPDB Pathways: | | Secondary Metabolites: Ubiquinol biosynthesis | PW000981 |    |
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| KEGG Pathways: | Not Available |
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| EcoCyc Pathways: | Not Available |
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| Concentrations |
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| Not Available |
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| Spectra |
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| Spectra: | |
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| References |
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| References: | Not Available |
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| Synthesis Reference: | Not Available |
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| Material Safety Data Sheet (MSDS) | Not Available |
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| Links |
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| External Links: | | Resource | Link |
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| CHEBI ID | Not Available | | HMDB ID | Not Available | | Pubchem Compound ID | Not Available | | Kegg ID | Not Available | | ChemSpider ID | Not Available | | Wikipedia ID | Not Available | | BioCyc ID | Not Available |
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